| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:42:50 UTC |
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| Update Date | 2020-05-11 20:44:29 UTC |
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| BMDB ID | BMDB0001232 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 4-Nitrophenol |
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| Description | 4-Nitrophenol, also known as niphen or PNP, belongs to the class of organic compounds known as nitrophenols. Nitrophenols are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms. 4-Nitrophenol exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. 4-Nitrophenol exists in all living species, ranging from bacteria to humans. 4-Nitrophenol is a potentially toxic compound. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 4-Hydroxynitrobenzene | ChEBI | | Niphen | ChEBI | | p-Hydroxynitrobenzene | ChEBI | | p-Nitrophenol | ChEBI | | Paranitrophenol | ChEBI | | PNP | ChEBI | | Mononitrophenol | HMDB | | 1-Hydroxy-4-nitrobenzene | HMDB | | 4-Nitrophenol, (18)O-labeled CPD | HMDB | | 4-Nitrophenol, 1-(13)C-labeled CPD | HMDB | | 4-Nitrophenol, manganese (2+) salt | HMDB | | 4-Nitrophenol, silver(2+) salt | HMDB | | 4-Nitrophenol, sodium salt, (2:1), dihydrate | HMDB | | 4-Nitrophenol, tin (4+) salt | HMDB | | 4-Nitrophenol, 2,6-(13)C2-labeled CPD | HMDB | | 4-Nitrophenol, 2-(14)C-labeled CPD | HMDB | | 4-Nitrophenol, copper(1+) salt | HMDB | | 4-Nitrophenol, potassium salt | HMDB | | 4-Nitrophenol, tin (2+) salt | HMDB | | 4-Nitrophenol, 14C-labeled CPD | HMDB | | 4-Nitrophenol, ammonium salt | HMDB | | 4-Nitrophenol, ion(1-) | HMDB | | 4-Nitrophenol, ion(1-) hydride | HMDB | | 4-Nitrophenol, sodium salt | HMDB | | 4-Nitrophenol, 2,6-(14)C2-labeled CPD | HMDB | | 4-Nitrophenol, aluminum salt | HMDB | | 4-Nitrophenol, cesium salt | HMDB | | 4-Nitrophenol, iron(3+) salt | HMDB | | 4-Nitrophenol, lithium salt | HMDB | | 4-Nitrophenol, manganese salt | HMDB | | 4-Nitrophenol, zinc salt | HMDB | | 4-Hydroxy-1-nitrobenzene | HMDB | | 4-Nitrophenolate | HMDB | | 4-Nitrophenol | HMDB |
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| Chemical Formula | C6H5NO3 |
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| Average Molecular Weight | 139.1088 |
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| Monoisotopic Molecular Weight | 139.026943031 |
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| IUPAC Name | 4-nitrophenol |
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| Traditional Name | P-nitrophenol |
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| CAS Registry Number | 100-02-7 |
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| SMILES | OC1=CC=C(C=C1)[N+]([O-])=O |
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| InChI Identifier | InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H |
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| InChI Key | BTJIUGUIPKRLHP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as nitrophenols. Nitrophenols are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Phenols |
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| Sub Class | Nitrophenols |
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| Direct Parent | Nitrophenols |
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| Alternative Parents | |
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| Substituents | - Nitrophenol
- Nitrobenzene
- Nitroaromatic compound
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- C-nitro compound
- Organic nitro compound
- Organic oxoazanium
- Allyl-type 1,3-dipolar organic compound
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Detected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 113.8 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 11.6 mg/mL | Not Available | | LogP | 1.91 | HANSCH,C ET AL. (1995) |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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